[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-3-ethoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-2-29-22-15-19(16-24-11-6-13-27-14-12-25-18-27)9-10-21(22)30-17-23(28)26-20-7-4-3-5-8-20/h3-5,7-10,12,14-15,18,24H,2,6,11,13,16-17H2,1H3,(H,26,28)/p+1